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Compound Detail

CHEMBL240818

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Cc1cc(NC(=O)c2c(C)noc2NCc2ccncc2)ccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL240818
Phase Preclinical
Structure Type MOL
InChI Key YIPHKADDOQHJNE-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.57
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N4O2
MW 390.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.70

Activity Summary

IC50 3 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.23 6.035 590.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 2 2
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine